http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Agerschou, E. D. ; Schützmann, M. P. ; Reppert, N. ; Wördehoff, M. M. ; Shaykhalishahi, H. ; Buell, A. K. ; Hoyer, W. (Corresponding author)FZJ*
β-Turn exchanges in the α-synuclein segment 44-TKEG-47 reveal high sequence fidelity requirements of amyloid fibril elongation
Biophysical chemistry 269, 106519 - (2021) [10.1016/j.bpc.2020.106519]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity
Journal of chemical information and modeling 61(11), 5626–5643 (2021) [10.1021/acs.jcim.1c00973]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Albus, A. ; Kronimus, Y. ; Neumann, S. ; Vidovic, N. (Corresponding author) ; Frenzel, A. ; Kuhn, P. ; Seifert, M. ; Ziehm, T.FZJ* ; van der Wurp, H. ; Dodel, R.
Effects of a Multimerized Recombinant Autoantibody Against Amyloid-β
Neuroscience 463, 355 - 369 (2021) [10.1016/j.neuroscience.2021.03.006]2021 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ariantari, N. P. ; Frank, M. ; Gao, Y. ; Stuhldreier, F. ; Kiffe-Delf, A.-L. ; Hartmann, R.FZJ* ; Höfert, S.-P. ; Janiak, C. ; Wesselborg, S. ; Müller, W. E. G. ; Kalscheuer, R. ; Liu, Z. (Corresponding author) ; Proksch, P. (Corresponding author)
Fusaristatins D–F and (7S,8R)-(−)-chlamydospordiol from Fusarium sp. BZCB-CA, an endophyte of Bothriospermum chinense
Tetrahedron 85, 132065 - (2021) [10.1016/j.tet.2021.132065]2021   Files BibTeX | EndNote: XML, Text | RIS

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Structural determinants underlying the adduct lifetime in the LOV proteins of Pseudomonas putida
The FEBS journal 288(16), 4955-4972 (2021) [10.1111/febs.15785]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Corrigendum: Therapeutic Potentials of Antiviral Plants Used in Traditional African Medicine With COVID-19 in Focus: A Nigerian Perspective
Frontiers in pharmacology 12, 721060 (2021) [10.3389/fphar.2021.721060]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Therapeutic Potentials of Antiviral Plants Used in Traditional African Medicine With COVID-19 in Focus: A Nigerian Perspective
Frontiers in pharmacology 12, 596855 (2021) [10.3389/fphar.2021.596855]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Targeting spectrin redox switches to regulate the mechanoproperties of red blood cells
Biological chemistry 402(3), 317–331 (2021) [10.1515/hsz-2020-0293]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Compact fibril-like structure of amyloid β-peptide (1–42) monomers
Chemical communications 57(7), 947 - 950 (2021) [10.1039/D0CC06607A]2021   Files BibTeX | EndNote: XML, Text | RIS

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F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism
Journal of chemical information and modeling 61(8), 4023–4030 (2021) [10.1021/acs.jcim.1c00558]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A comparative pan-genomic analysis of 53 C. pseudotuberculosis strains based on functional domains
Journal of biomolecular structure & dynamics 39(18), 6974 - 6986 (2021) [10.1080/07391102.2020.1805017]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Bocharov, E. V. ; Gremer, L.FZJ* ; Urban, A. S. ; Okhrimenko, I. S. ; Volynsky, P. E. ; Nadezhdin, K. D. ; Bocharova, O. V. ; Kornilov, D. A. ; Zagryadskaya, Y. A. ; Kamynina, A. V. ; Kuzmichev, P. K. ; Kutzsche, J.FZJ* ; Bolakhrif, N.FZJ* ; Müller-Schiffmann, A. ; Dencher, N. A. ; Arseniev, A. S. ; Efremov, R. G. ; Gordeliy, V. I. (Corresponding author)FZJ* ; Willbold, D. (Corresponding author)FZJ*
All - d - Enantiomeric Peptide D3 Designed for Alzheimer’s Disease Treatment Dynamically Interacts with Membrane-Bound Amyloid-β Precursors
Journal of medicinal chemistry 64(22), 16464 - 16479 (2021) [10.1021/acs.jmedchem.1c00632]2021   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Bogorodskiy, A. ; Okhrimenko, I. ; Maslov, I. ; Maliar, N. ; Burkatovskii, D. ; von Ameln, F. ; Schulga, A. ; Jakobs, P. ; Altschmied, J. ; Haendeler, J. ; Katranidis, A.FZJ* ; Sorokin, I. ; Mishin, A. ; Gordeliy, V.FZJ* ; Büldt, G. ; Voos, W. ; Gensch, T.FZJ* ; Borshchevskiy, V. (Corresponding author)FZJ*
Accessing Mitochondrial Protein Import in Living Cells by Protein Microinjection
Frontiers in cell and developmental biology 9, 698658 (2021) [10.3389/fcell.2021.698658]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Liver cell hydration and integrin signaling
Biological chemistry 402(9), 1033-1045 (2021) [10.1515/hsz-2021-0193]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Investigation of the synthesis and the alkali corrosion of potassium aluminosilicates by XRD and NMR (29Si, 27Al)
Ceramics international 47(23), 33596 - 33605 (2021) [10.1016/j.ceramint.2021.08.269]2021 BibTeX | EndNote: XML, Text | RIS

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PEAβ Triggers Cognitive Decline and Amyloid Burden in a Novel Mouse Model of Alzheimer’s Disease
International journal of molecular sciences 22(13), 7062 - (2021) [10.3390/ijms22137062]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Sex-Related Motor Deficits in the Tau-P301L Mouse Model
Biomedicines 9(9), 1160 - (2021) [10.3390/biomedicines9091160]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Can Constraint Network Analysis guide the identification phase of KnowVolution? A case study on improved thermostability of an endo-β-glucanase
Computational and structural biotechnology journal 19, 743-751 (2021) [10.1016/j.csbj.2020.12.034]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Cukkemane, A. A. (Corresponding author)FZJ* ; Becker, N.FZJ* ; Zielinski, M.FZJ* ; Frieg, B.FZJ* ; Lakomek, N.-A.FZJ* ; Heise, H.FZJ* ; Schröder, G. F.FZJ* ; Willbold, D. (Corresponding author)FZJ* ; Weiergräber, O. H. (Corresponding author)FZJ*
Conformational heterogeneity coupled with β-fibril formation of a scaffold protein involved in chronic mental illnesses
Translational Psychiatry 11(1), 639 (2021) [10.1038/s41398-021-01765-1]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation
Journal of enzyme inhibition and medicinal chemistry 36(1), 491 - 496 (2021) [10.1080/14756366.2021.1876685]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Dubey, A. ; Stoyanov, N. ; Viennet, T. ; Chhabra, S. ; Elter, S. ; Borggräfe, J. ; Viegas, A. ; Nowak, R. P. ; Burdzhiev, N. ; Petrov, O. ; Fischer, E. S. ; Etzkorn, M. (Corresponding author)FZJ* ; Gelev, V. (Corresponding author) ; Arthanari, H. (Corresponding author)
Local Deuteration Enables NMR Observation of Methyl Groups in Proteins from Eukaryotic and Cell‐Free Expression Systems
Angewandte Chemie / International edition 60(25), 13783 - 13787 (2021) [10.1002/anie.202016070]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Eberle, R. (Corresponding author)FZJ* ; Olivier, D. S. ; Amaral, M. S. ; Gering, I.FZJ* ; Willbold, D.FZJ* ; Arni, R. K. ; Coronado, M. A.FZJ*
The Repurposed Drugs Suramin and Quinacrine Cooperatively Inhibit SARS-CoV-2 3CLpro In Vitro
Viruses 13(5), 873 - (2021) [10.3390/v13050873]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Promising Natural Compounds against Flavivirus Proteases: Citrus Flavonoids Hesperetin and Hesperidin
Plants 10(10), 2183 - (2021) [10.3390/plants10102183]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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In vitro study of Hesperetin and Hesperidin as inhibitors of zika and chikungunya virus proteases
PLOS ONE 16(3), e0246319 - (2021) [10.1371/journal.pone.0246319]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways
Computational and structural biotechnology journal 19, 4248-4264 (2021) [10.1016/j.csbj.2021.07.001]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Oral absorption enhancement of the amyloid-β oligomer eliminating compound RD2 by conjugation with folic acid
European journal of pharmaceutical sciences 156, 105581 - (2021) [10.1016/j.ejps.2020.105581]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Histamine H3 receptor antagonists with peptidomimetic (keto)piperazine structures to inhibit Aβ oligomerisation
Bioorganic & medicinal chemistry 50, 116462 - (2021) [10.1016/j.bmc.2021.116462]2021 BibTeX | EndNote: XML, Text | RIS

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Amyloid-β peptide dimers undergo a random coil to β-sheet transition in the aqueous phase but not at the neuronal membrane
Proceedings of the National Academy of Sciences of the United States of America 118(39), e2106210118 - (2021) [10.1073/pnas.2106210118]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Chapter Five - Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions
Progress in molecular biology and translational science 183, 135-185 (2021) [10.1016/bs.pmbts.2021.06.003]2021   Files BibTeX | EndNote: XML, Text | RIS

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Interaction Mode of the Novel Monobactam AIC499 Targeting Penicillin Binding Protein 3 of Gram-Negative Bacteria
Biomolecules 11(7), 1057 - (2021) [10.3390/biom11071057]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspects
Biological chemistry 402(9), 1063-1072 (2021) [10.1515/hsz-2021-0166]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Tryptophan (W) at position 37 of murine IL-12/IL-23 p40 is mandatory for binding to IL-12Rβ1 and subsequent signal transduction
The journal of biological chemistry 297(5), 101295 - (2021) [10.1016/j.jbc.2021.101295]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The interaction of insoluble Amyloid‐β with soluble Amyloid‐β dimers decreases Amyloid‐β plaque numbers
Neuropathology & applied neurobiology 47(5), 603-610 (2021) [10.1111/nan.12685]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The many facets of bile acids in the physiology and pathophysiology of the human liver
Biological chemistry 402(9), 1047-1062 (2021) [10.1515/hsz-2021-0156]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Editorial: The Biochemistry of Amyloids in Neurodegenerative Diseases, Volume I.
Frontiers in neuroscience 15, 819481 (2021) [10.3389/fnins.2021.819481]2021   Files  Fulltext by Pubmed Central Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nitrate- and Nitrite-Sensing Histidine Kinases: Function, Structure, and Natural Diversity
International journal of molecular sciences 22(11), 5933 - (2021) [10.3390/ijms22115933]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5
Nature Communications 12(1), 5254 (2021) [10.1038/s41467-021-25574-8]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Protofibril‐Fibril Interactions Inhibit Amyloid Fibril Assembly by Obstructing Secondary Nucleation
Angewandte Chemie / International edition 60(6), 3016-3021 (2021) [10.1002/anie.202010098]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy
Scientific reports 11(1), 13714 (2021) [10.1038/s41598-021-92975-6]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Rapid 18 F-labeling via Pd-catalyzed S -arylation in aqueous medium
Chemical communications 57, 3547-3550 (2021) [10.1039/D1CC00745A]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Biochemical and Initial Structural Characterization of the Monocot Chimeric Jacalin OsJAC1
International journal of molecular sciences 22(11), 5639 - (2021) [10.3390/ijms22115639]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Conference Presentation (After Call) Huwa, N. (Corresponding author)FZJ* ; Kirsch, C.RWTH* ; Weiergräber, O. H.FZJ* ; Schaffrath, U.RWTH* ; Classen, T.FZJ*
Interaction Study of a rice protein conferring pathogen defense - OsJAC1
2021EFB 2021, onlineonline, Germany, 10 May 2021 - 14 May 20212021-05-102021-05-14 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Jaguva Vasudevan, A. A. (Corresponding author) ; Becker, D. ; Luedde, T. ; Gohlke, H.FZJ* ; Münk, C. (Corresponding author)
Foamy Viruses, Bet, and APOBEC3 Restriction
Viruses 13(3), 504 (2021) [10.3390/v13030504]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Jaladanki, C. K. ; Khatun, S. ; Gohlke, H.FZJ* ; Bharatam, P. V. (Corresponding author)
Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity
Chemical research in toxicology 34(6), 1503–1517 (2021) [10.1021/acs.chemrestox.0c00450]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kazemein Jasemi, N. S. ; Herrmann, C. ; Magdalena Estirado, E. ; Gremer, L.FZJ* ; Willbold, D.FZJ* ; Brunsveld, L. ; Dvorsky, R. (Corresponding author) ; Ahmadian, M. R. (Corresponding author)
The intramolecular allostery of GRB2 governing its interaction with SOS1 is modulated by phosphotyrosine ligands
Biochemical journal 478(14), 2793 - 2809 (2021) [10.1042/BCJ20210105]2021 BibTeX | EndNote: XML, Text | RIS

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Guidelines for the use and interpretation of assays for monitoring autophagy (4th edition) 1
Autophagy 17(1), 1 - 382 (2021) [10.1080/15548627.2020.1797280]2021   Files BibTeX | EndNote: XML, Text | RIS

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Overexpression of Cystine/Glutamate Antiporter xCT Correlates with Nutrient Flexibility and ZEB1 Expression in Highly Clonogenic Glioblastoma Stem-like Cells (GSCs)
Cancers 13(23), 6001 - (2021) [10.3390/cancers13236001]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article König, A. S.FZJ* ; Rösener, N.FZJ* ; Gremer, L.FZJ* ; Tusche, M.FZJ* ; Flender, D. ; Reinartz, E. ; Hoyer, W.FZJ* ; Neudecker, P.FZJ* ; Willbold, D.FZJ* ; Heise, H. (Corresponding author)FZJ*
Structural details of amyloid β oligomers in complex with human prion protein as revealed by solid-state MAS NMR spectroscopy
The journal of biological chemistry 296, 100499 - (2021) [10.1016/j.jbc.2021.100499]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kuklin, A. I. (Corresponding author) ; Ivankov, O. I. ; Rogachev, A. V. ; Soloviov, D. V. ; Islamov, A. K. ; Skoi, V. V. ; Kovalev, Y. S. ; Vlasov, A. V. ; Ryzykau, Y. L. ; Soloviev, A. G. ; Kucerka, N. ; Gordeliy, V. I.FZJ*
Small-Angle Neutron Scattering at the Pulsed Reactor IBR-2: Current Status and Prospects
Crystallography reports 66(2), 231 - 241 (2021) [10.1134/S1063774521020085]2021   Files BibTeX | EndNote: XML, Text | RIS

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Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge
Nature methods 18(2), 156 - 164 (2021) [10.1038/s41592-020-01051-w]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article López-Pérez, A. ; Freischem, S.FZJ* ; Grimm, I. ; Weiergräber, O.FZJ* ; Dingley, A.FZJ* ; López-Alberca, M. ; Waldmann, H. ; Vollmer, W. ; Kumar, K. ; Vuong, C. (Corresponding author)
Discovery of Pyrrolidine-2,3-diones as Novel Inhibitors of P. aeruginosa PBP3
Antibiotics 10(5), 529 - (2021) [10.3390/antibiotics10050529]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Dataset of AMBER force field parameters of drugs, natural products and steroids for simulations using GROMACS
Data in Brief 35, 106948 - (2021) [10.1016/j.dib.2021.106948]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay
Bioorganic chemistry 111, 104862 - (2021) [10.1016/j.bioorg.2021.104862]2021   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Lushpa, V. A. ; Goncharuk, M. V. ; Lin, C. ; Zalevsky, A. O. ; Talyzina, I. A. ; Luginina, A. P. ; Vakhrameev, D. D. ; Shevtsov, M. B. ; Goncharuk, S. A. ; Arseniev, A. S. ; Borshchevskiy, V.FZJ* ; Wang, X. ; Mineev, K. S. (Corresponding author)
Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn2+ ions
Communications biology 4(1), 1003 (2021) [10.1038/s42003-021-02532-0]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Maliar, N. ; Okhrimenko, I. S. ; Petrovskaya, L. E. ; Alekseev, A. A. ; Kovalev, K. V. ; Soloviov, D. V. ; Popov, P. A. ; Rokitskaya, T. I. ; Antonenko, Y. N. ; Zabelskii, D. V.FZJ* ; Dolgikh, D. A. ; Kirpichnikov, M. P. ; Gordeliy, V. I. (Corresponding author)FZJ*
Erratum to: Novel pH-Sensitive Microbial Rhodopsin from Sphingomonas paucimobilis
Doklady biochemistry and biophysics 497(1), 158 - 158 (2021) [10.1134/S1607672921020198]2021   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mineev, K. S. ; Goncharuk, S. A. ; Goncharuk, M. V. ; Povarova, N. V. ; Sokolov, A. I. ; Baleeva, N. S. ; Smirnov, A. Y. ; Myasnyanko, I. N. ; Ruchkin, D. A. ; Bukhdruker, S. ; Remeeva, A. ; Mishin, A. ; Borshchevskiy, V.FZJ* ; Gordeliy, V.FZJ* ; Arseniev, A. S. ; Gorbachev, D. A. ; Gavrikov, A. S. ; Mishin, A. S. ; Baranov, M. S. (Corresponding author)
NanoFAST: structure-based design of a small fluorogen-activating protein with only 98 amino acids
Chemical science 12(19), 6719 - 6725 (2021) [10.1039/D1SC01454D]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Moe-Lange, J. (Corresponding author) ; Gappel, N. M. ; Machado, M. ; Wudick, M. M. ; Sies, C. S. A. ; Schott, S.FZJ* ; Bonus, M. ; Mishra, S. ; Hartwig, T. ; Bezrutczyk, M. ; Basu, D. ; Farmer, E. E. ; Gohlke, H.FZJ* ; Malkovskiy, A. ; Haswell, E. S. ; Lercher, M. J. ; Ehrhardt, D. W. ; Frommer, W. B. (Corresponding author) ; Kleist, T. J.
Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling
Science advances 7(37), eabg4298 (2021) [10.1126/sciadv.abg4298]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mulnaes, D. ; Koenig, F. ; Gohlke, H. (Corresponding author)FZJ*
TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction
Journal of chemical information and modeling 61(2), 548–553 (2021) [10.1021/acs.jcim.0c01202]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mulnaes, D. ; Golchin, P. ; Koenig, F. ; Gohlke, H. (Corresponding author)FZJ*
TopDomain: Exhaustive Protein Domain Boundary Metaprediction Combining Multisource Information and Deep Learning
Journal of chemical theory and computation 17(7), 4599–4613 (2021) [10.1021/acs.jctc.1c00129]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mulnaes, D. ; Schott, S.FZJ* ; Koenig, F. ; Gohlke, H. (Corresponding author)FZJ*
TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks
Journal of chemical theory and computation 17(11), 7281 - 7289 (2021) [10.1021/acs.jctc.1c00685]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Navarro-Retamal, C. (Corresponding author) ; Schott, S.FZJ* ; Gohlke, H. (Corresponding author)FZJ* ; Dreyer, I. (Corresponding author)
Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway
International journal of molecular sciences 22(19), 10345 - (2021) [10.3390/ijms221910345]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Nguyen, P. H. ; Ramamoorthy, A. ; Sahoo, B. R. ; Zheng, J. ; Faller, P. ; Straub, J. E. ; Dominguez, L. ; Shea, J.-E. ; Dokholyan, N. V. ; De Simone, A. ; Ma, B. ; Nussinov, R. ; Najafi, S. ; Ngo, S. T. ; Loquet, A. ; Chiricotto, M. ; Ganguly, P. ; McCarty, J. ; Li, M. S. ; Hall, C. ; Wang, Y. ; Miller, Y. ; Melchionna, S. ; Habenstein, B. ; Timr, S. ; Chen, J. ; Hnath, B. ; Strodel, B.FZJ* ; Kayed, R. ; Lesné, S. ; Wei, G. ; Sterpone, F. ; Doig, A. J. ; Derreumaux, P. (Corresponding author)
Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
Chemical reviews 121(4), 2545 - 2647 (2021) [10.1021/acs.chemrev.0c01122]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Nutschel, C.FZJ* ; Coscolín, C. ; David, B. ; Mulnaes, D. ; Ferrer, M. ; Jaeger, K.-E.FZJ* ; Gohlke, H. (Corresponding author)FZJ*
Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones
Journal of chemical information and modeling 61(5), 2383 - 2395 (2021) [10.1021/acs.jcim.1c00152]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Nutschel, C. (Corresponding author)FZJ*
Impact of enzyme rigidity and flexibility on stability against environmental influences, promiscuity, and expression on large-scale
251 p. (2021)2021 = Dissertation, Heinrich-Heine-Universität Düsseldorf, 2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Pagnon de la Vega, M. ; Giedraitis, V. ; Michno, W. ; Kilander, L. ; Güner, G. ; Zielinski, M.FZJ* ; Löwenmark, M. ; Brundin, R. ; Danfors, T. ; Söderberg, L. ; Alafuzoff, I. ; Nilsson, L. N. G. ; Erlandsson, A. ; Willbold, D.FZJ* ; Müller, S. A. ; Schröder, G. F.FZJ* ; Hanrieder, J. ; Lichtenthaler, S. F. ; Lannfelt, L. ; Sehlin, D. ; Ingelsson, M. (Corresponding author)
The Uppsala APP deletion causes early onset autosomal dominant Alzheimer’s disease by altering APP processing and increasing amyloid β fibril formation
Science translational medicine 13(606), eabc6184 (2021) [10.1126/scitranslmed.abc6184]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment
Chemical science 12(19), 6652 - 6669 (2021) [10.1039/D0SC04657D]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Perez-Garcia, P. ; Kobus, S. ; Gertzen, C. G. W. ; Hoeppner, A. ; Holzscheck, N. ; Strunk, C. H. ; Huber, H. ; Jaeger, K.-E.FZJ* ; Gohlke, H.FZJ* ; Kovacic, F.FZJ* ; Smits, S. H. J. ; Streit, W. R. ; Chow, J. (Corresponding author)
A promiscuous ancestral enzyme´s structure unveils protein variable regions of the highly diverse metallo-β-lactamase family
Communications biology 4(1), 132 (2021) [10.1038/s42003-021-01671-8]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Pfleger, C. ; Kusch, J. ; Kondapuram, M. ; Schwabe, T. ; Sattler, C. ; Benndorf, K. ; Gohlke, H. (Corresponding author)FZJ*
Allosteric signaling in C-linker and cyclic nucleotide-binding domain of HCN2 channels
Biophysical journal 120(5), 950-963 (2021) [10.1016/j.bpj.2021.01.017]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Post, J.FZJ* ; Kogel, V.FZJ* ; Schaffrath, A.FZJ* ; Lohmann, P.FZJ* ; Shah, N. J.FZJ* ; Langen, K.-J.FZJ* ; Willbold, D.FZJ* ; Willuweit, A.FZJ* ; Kutzsche, J. (Corresponding author)FZJ*
A Novel Anti-Inflammatory d-Peptide Inhibits Disease Phenotype Progression in an ALS Mouse Model
Molecules 26(6), 1590 - (2021) [10.3390/molecules26061590]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Oral Treatment with RD2RD2 Impedes Development of Motoric Phenotype and Delays Symptom Onset in SOD1G93A Transgenic Mice
International journal of molecular sciences 22(13), 7066 - (2021) [10.3390/ijms22137066]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Pothula, K. R.FZJ* ; Geraets, J. A.FZJ* ; Ferber, I. I. ; Schröder, G. F. (Corresponding author)FZJ*
Clustering polymorphs of tau and IAPP fibrils with the CHEP algorithm
Progress in biophysics & molecular biology 160, 16 - 25 (2021) [10.1016/j.pbiomolbio.2020.11.007]2021 BibTeX | EndNote: XML, Text | RIS

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Evidence for a credit-card-swipe mechanism in the human PC floppase ABCB4
Structure 29(10), 1144-1155.e5 (2021) [10.1016/j.str.2021.05.013]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Remeeva, A. ; Nazarenko, V. V. ; Kovalev, K. ; Goncharov, I. M. ; Yudenko, A. ; Astashkin, R. ; Gordeliy, V.FZJ* ; Gushchin, I. (Corresponding author)
Insights into the mechanisms of light‐oxygen‐voltage domain color tuning from a set of high‐resolution X‐ray structures
Proteins 89(8), 1005 - 1016 (2021) [10.1002/prot.26078]2021   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Risi, C. ; Schäfer, L. U.FZJ* ; Belknap, B. ; Pepper, I. ; White, H. D. ; Schröder, G. F.FZJ* ; Galkin, V. E. (Corresponding author)
High-Resolution Cryo-EM Structure of the Cardiac Actomyosin Complex
Structure 29(1), 50 - 60.e4 (2021) [10.1016/j.str.2020.09.013]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Rokitskaya, T. I. (Corresponding author) ; Maliar, N. ; Kovalev, K. V. ; Volkov, O. ; Gordeliy, V. I.FZJ* ; Antonenko, Y. N.
Rhodopsin Channel Activity Can Be Evaluated by Measuring the Photocurrent Voltage Dependence in Planar Bilayer Lipid Membranes
Biochemistry (Moscow) 86(4), 409 - 419 (2021) [10.1134/S0006297921040039]2021   Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Röllen, K. ; Granzin, J.FZJ* ; Remeeva, A. ; Davari, M. D. ; Gensch, T.FZJ* ; Nazarenko, V. V. ; Kovalev, K. ; Bogorodskiy, A. ; Borshchevskiy, V.FZJ* ; Hemmer, S.FZJ* ; Schwaneberg, U. ; Gordeliy, V.FZJ* ; Jaeger, K.-E.FZJ* ; Batra-Safferling, R.FZJ* ; Gushchin, I. ; Krauss, U. (Corresponding author)FZJ*
The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins
The journal of biological chemistry 296, 100662 - (2021) [10.1016/j.jbc.2021.100662]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ryzhykau, Y. L. ; Orekhov, P. S. ; Rulev, M. I. ; Vlasov, A. V. ; Melnikov, I. A. ; Volkov, D. A. ; Nikolaev, M. Y. ; Zabelskii, D. V.FZJ* ; Murugova, T. N. ; Chupin, V. V. ; Rogachev, A. V. ; Gruzinov, A. Y. ; Svergun, D. I. ; Brennich, M. E. ; Gushchin, I. Y. ; Soler-Lopez, M. ; Bothe, A. ; Büldt, G. ; Leonard, G. ; Engelhard, M. ; Kuklin, A. I. (Corresponding author) ; Gordeliy, V. I. (Corresponding author)FZJ*
Molecular model of a sensor of two-component signaling system
Scientific reports 11(1), 10774 (2021) [10.1038/s41598-021-89613-6]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ryzhykau, Y. L. ; Vlasov, A. V. ; Orekhov, P. S. ; Rulev, M. I. ; Rogachev, A. V. ; Vlasova, A. D. ; Kazantsev, A. S. ; Verteletskiy, D. P. ; Skoi, V. V. ; Brennich, M. E. ; Pernot, P. ; Murugova, T. N. ; Gordeliy, V. I.FZJ* ; Kuklin, A. I. (Corresponding author)
Ambiguities in and completeness of SAS data analysis of membrane proteins: the case of the sensory rhodopsin II–transducer complex
Acta crystallographica / Section D 77(11), 1386 - 1400 (2021) [10.1107/S2059798321009542]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Samantray, S. (Corresponding author)FZJ* ; Olubiyi, O. O. (Corresponding author)FZJ* ; Strodel, B. (Corresponding author)FZJ*
The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans
International journal of molecular sciences 22(21), 11529 - (2021) [10.3390/ijms222111529]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Effects of Different Glycosaminoglycans on the Structure and Aggregation of the Amyloid-β (16–22) Peptide
The journal of physical chemistry <Washington, DC> / B 125(21), 5511 - 5525 (2021) [10.1021/acs.jpcb.1c00868]2021   Files BibTeX | EndNote: XML, Text | RIS

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Ligand-Induced Stabilization of the Native Human Superoxide Dismutase 1
ACS chemical neuroscience 12(13), 2520–2528 (2021) [10.1021/acschemneuro.1c00253]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Lack of GABARAP-Type Proteins Is Accompanied by Altered Golgi Morphology and Surfaceome Composition
International journal of molecular sciences 22(1), 85 - (2021) [10.3390/ijms22010085]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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In Vitro and In Vivo Efficacies of the Linear and the Cyclic Version of an All-d-Enantiomeric Peptide Developed for the Treatment of Alzheimer’s Disease
International journal of molecular sciences 22(12), 6553 - (2021) [10.3390/ijms22126553]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Erratum: “AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools” [J. Chem. Phys. 152, 221103 (2020)]
The journal of chemical physics 154(10), 109901 - (2021) [10.1063/5.0046589]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Thermodynamic profile of mutual subunit control in a heteromeric receptor
Proceedings of the National Academy of Sciences of the United States of America 118(30), e2100469118 (2021) [10.1073/pnas.2100469118]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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40 Years of Research on Polybrominated Diphenyl Ethers (PBDEs)—A Historical Overview and Newest Data of a Promising Anticancer Drug
Molecules 26(4), 995 - (2021) [10.3390/molecules26040995]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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An essential role of the autophagy activating kinase ULK1 in snRNP biogenesis
Nucleic acids research 49(11), 6437 - 6455 (2021) [10.1093/nar/gkab452]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Endo-lysosomal Aβ concentration and pH trigger formation of Aβ oligomers that potently induce Tau missorting
Nature Communications 12(1), 4634 (2021) [10.1038/s41467-021-24900-4]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Versatile Route toward Hydrophobically Polymer-Grafted Gold Nanoparticles from Aqueous Dispersions
The journal of physical chemistry <Washington, DC> / B 125(29), 8225 - 8237 (2021) [10.1021/acs.jpcb.1c03772]2021   Files BibTeX | EndNote: XML, Text | RIS

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Self assembling cluster crystals from DNA based dendritic nanostructures
Nature Communications 12(1), 7167 (2021) [10.1038/s41467-021-27412-3]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Amyloid aggregation simulations: challenges, advances and perspectives
Current opinion in structural biology 67, 145 - 152 (2021) [10.1016/j.sbi.2020.10.019]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Energy Landscapes of Protein Aggregation and Conformation Switching in Intrinsically Disordered Proteins
Journal of molecular biology 433(20), 167182 - (2021) [10.1016/j.jmb.2021.167182]2021   Files BibTeX | EndNote: XML, Text | RIS

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A new twist of rubredoxin function in M. tuberculosis
Bioorganic chemistry 109, 104721 - (2021) [10.1016/j.bioorg.2021.104721]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A β-Wrapin Targeting the N-Terminus of α-Synuclein Monomers Reduces Fibril-Induced Aggregation in Neurons.
Frontiers in neuroscience 15, 696440 (2021) [10.3389/fnins.2021.696440]2021   Files  Fulltext by OpenAccess repository Fulltext by Pubmed Central BibTeX | EndNote: XML, Text | RIS

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Recurring Gastrointestinal Infections Increase the Risk of Dementia
Journal of Alzheimer's disease 84(2), 797-806 (2021) [10.3233/JAD-210316]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular dynamics studies for enhancing the anticancer drug efficacy: Toward designing a new carbon nanotube-based paclitaxel delivery system
Journal of molecular liquids 323, 114638 - (2021) [10.1016/j.molliq.2020.114638]2021   Files BibTeX | EndNote: XML, Text | RIS

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Ageing promotes pathological alpha-synuclein propagation and autonomic dysfunction in wild-type rats
Brain 144(6), 1853 - 1868 (2021) [10.1093/brain/awab061]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis
Journal of molecular biology 433(4), 166763 - (2021) [10.1016/j.jmb.2020.166763]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Voltage Dependent Sidedness of the Reprotonation of the Retinal Schiff Base Determines the Unique Inward Pumping of Xenorhodopsin
Angewandte Chemie / International edition 60(42), 23010 - 23017 (2021) [10.1002/anie.202103882]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Amyloid-type Protein Aggregation and Prion-like Properties of Amyloids
Chemical reviews 121(13), 8285 - 8307 (2021) [10.1021/acs.chemrev.1c00196]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Comparison of the Amyloid Load in the Brains of Two Transgenic Alzheimer’s Disease Mouse Models Quantified by Florbetaben Positron Emission Tomography
Frontiers in neuroscience 15, 699926 (2021) [10.3389/fnins.2021.699926]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Active antibacterial coating of cotton fabrics with antimicrobial proteins
Cellulose 28(12), 8077 - 8094 (2021) [10.1007/s10570-021-03997-2]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein
Communications biology 4(1), 539 (2021) [10.1038/s42003-021-02022-3]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Rational Design of a Split Flavin-Based Fluorescent Reporter
ACS synthetic biology 10(1), 72 - 83 (2021) [10.1021/acssynbio.0c00454]2021   Files BibTeX | EndNote: XML, Text | RIS

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Challenges in sample preparation and structure determination of amyloids by cryo-EM
The journal of biological chemistry 297(2), 100938 - (2021) [10.1016/j.jbc.2021.100938]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS